Synthesis, characterization, crystal structure, Hirshfeld surface analysis and DFT calculations of two novel pyrrole derivatives

被引：7
|
作者：
Prathap, K. N. Chethan [1 ]
Shalini, P. [2 ]
Lokanath, N. K. [2 ]
机构：
[1] Tumkur Univ, Dept Phys, Univ Coll Sci, Tumakuru 570103, India
[2] Univ Mysore, Dept Studies Phys, Manasagangotri 570006, Mysuru, India
来源：
JOURNAL OF MOLECULAR STRUCTURE | 2020年 / 1199卷 / 1199期
关键词：
Pyrrole derivatives; Crystal structure; UV-Visible; TG-DTA; NBO; X-RAY;
D O I：
10.1016/j.molstruc.2019.127033
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
[No abstract available]
引用
收藏
页数：10
相关论文
共 50 条
  • [41] Synthesis, crystal structure, DFT study, Hirshfeld surface analysis, molecular docking and antitumor activity of a novel SHP2 inhibitor
    Song, Wenting
    Li, Li
    Liao, Tianhui
    Chen, Dongmei
    Jia, Yihe
    Zhao, Xin
    Zheng, Zhaopeng
    Zhou, Zhixu
    JOURNAL OF MOLECULAR STRUCTURE, 2024, 1301
  • [42] Synthesis, Hirshfeld Surface Analysis and DFT Studies of Ethano-tetracyclic Tetracene Derivatives
    Mujeeb A. Sultan
    Hazem A. Ghabbour
    Saied M. Soliman
    Renjith Raveendran Pillai
    Mansour S. A. Galil
    Journal of Chemical Crystallography, 2021, 51 : 196 - 204
  • [43] Structural considerations on acridine/acridinium derivatives: Synthesis, crystal structure, Hirshfeld surface analysis and computational studies
    Wera, Michal
    Storoniak, Piotr
    Serdiuk, Illia E.
    Zadykowicz, Beata
    JOURNAL OF MOLECULAR STRUCTURE, 2016, 1105 : 41 - 53
  • [44] Crystal structure, Hirshfeld surface analysis, interaction energy, and DFT studies of cholesteryl heptanoate
    Akduran, Nurcan
    Karakurt, Tuncay
    Hokelek, Tuncer
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2021, 77 : 686 - +
  • [45] Synthesis, crystal structure, Hirshfeld surface analysis and DFT calculation of 1, 3-cyclohexanedione derived enaminone
    Zhang, Zi-Hao
    Gong, Liang-Fa
    Zhao, Fang-Xuan
    Tao, Jing-Yun
    Ouyang, Zhou-Peng
    Chen, Ying-Peng
    Liu, Shan-Shan
    JOURNAL OF MOLECULAR STRUCTURE, 2024, 1302
  • [46] Synthesis, crystal structure, spectroscopic and hirshfeld surface analysis, NCI-RDG, DFT computations and antibacterial activity of new asymmetrical azines
    Chiter, Chaabane
    Bouchama, Abdelaziz
    Mouas, Toma Nardjes
    Allal, Hamza
    Yahiaoui, Messaoud
    Warad, Ismail
    Zarrouk, Abdelkader
    Djedouani, Amel
    JOURNAL OF MOLECULAR STRUCTURE, 2020, 1217
  • [47] Synthesis, Hirshfeld Surface Analysis and DFT Studies of Ethano-tetracyclic Tetracene Derivatives
    Sultan, Mujeeb A.
    Ghabbour, Hazem A.
    Soliman, Saied M.
    Pillai, Renjith Raveendran
    Galil, Mansour S. A.
    JOURNAL OF CHEMICAL CRYSTALLOGRAPHY, 2021, 51 (02) : 196 - 204
  • [48] Synthesis, crystal structure, DFT studies, and Hirshfeld surface analysis of a new Strontium Polyphosphate Form α - Sr(PO3)2
    Elmehdi, Majdi
    Zerraf, Soufiane
    Ameur, Soukaina
    Mizeb, K.
    Belghiti, M. E.
    Zeroual, Abdellah
    Belaaouad, Said
    JOURNAL OF SOLID STATE CHEMISTRY, 2024, 329
  • [49] Synthesis and crystal structures of two 1H-benzo[d]imidazole derivatives: DFT and anti-corrosion studies, and Hirshfeld surface analysis
    Ghichi, Nadir
    Djedouani, Amel
    Hannachid, Douniazed
    Said, Mohamed Elhadi
    Benboudiaf, Ali
    Merazig, Hocine
    Ouksel, Louiza
    Hellal, Abdelkader
    Stoeckli-Evans, Helen
    ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY, 2023, 79 : 292 - +
  • [50] Synthesis, X-Ray, Spectroscopic Characterization, Hirshfeld Surface Analysis, Molecular Docking, and DFT Calculations of a New Series of 3-Hydrazono and 3-Phenylhydrazono Isatin Derivatives
    Rharmili, Nohaila
    Thiruvalluvar, Aravazhi Amalan
    Anouar, El Hassane
    Rodi, Youssef Kandri
    Chahdi, Fouad Ouazzani
    Haoudi, Amal
    Mague, Joel T.
    Mazzah, Ahmed
    Sebbar, Nada Kheira
    Essassi, El Mokhtar
    POLYCYCLIC AROMATIC COMPOUNDS, 2023, 43 (10) : 8989 - 9006
12345